HRID91844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8019

2-Methoxyethanol

C3H8O2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c2cc1C(=O)O

HCID22936350

未命名化合物

PRODUCTS

生成物

结构：COCCOC(=O)c1cc2c(Oc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)ccnc2cc1OC

HCID23069571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76b0cd0e239342c196c77035ade4aa44
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:35]([N:36]=[C:37]=[N:38][CH2:39][CH2:40][CH2:41][N:42]([CH3:43])[CH3:44])[CH3:45].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][O:54][CH2:55][CH2:56][OH:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[ClH:34].[F:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([O:14][c:15]3[cH:16][cH:17][n:18][c:19]4[cH:20][c:21]([O:28][CH3:29])[c:22]([C:25](=[O:26])[OH:27])[cH:23][c:24]34)[cH:30][cH:31]2)[cH:32][cH:33]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7](=[O:8])[NH:9][c:10]2[cH:11][cH:12][c:13]([O:14][c:15]3[cH:16][cH:17][n:18][c:19]4[cH:20][c:21]([O:28][CH3:29])[c:22]([C:25](=[O:26])[O:27][CH2:56][CH2:55][O:54][CH3:53])[cH:23][c:24]34)[cH:30][cH:31]2)[cH:32][cH:33]1